Acetonitrile → 2-Isopropyl-5-phenyl-4-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}amino)isothiazol-3(2H)-one 1,1-dioxide
Reaction equation
[CH3:36][C:37]#[N:38].[Cl:1][C:2]1=[C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[S:5](=[O:13])(=[O:14])[N:4]([CH:15]([CH3:16])[CH3:17])[C:3]1=[O:18].[F:19][C:20]([c:21]1[n:22][c:23]([N:27]2[CH2:28][CH2:29][CH:30]([NH2:33])[CH2:31][CH2:32]2)[n:24][cH:25][cH:26]1)([F:34])[F:35]>>[C:2]1([NH:33][CH:30]2[CH2:29][CH2:28][N:27]([c:23]3[n:22][c:21]([C:20]([F:19])([F:34])[F:35])[cH:26][cH:25][n:24]3)[CH2:32][CH2:31]2)=[C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[S:5](=[O:13])(=[O:14])[N:4]([CH:15]([CH3:16])[CH3:17])[C:3]1=[O:18]Participants
4
Sources & evidence
- ORD record
- ord-9609d762e8874279b11e0a551914b0a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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